REMARK  Name = BDB033739
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.144  -0.443  -2.169  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1        1.493  -0.751  -3.066  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -2.922  -1.028  -2.220  0.00  0.00    +0.110 A 
ATOM      4  C   LIG    1       -2.319  -0.511  -1.083  0.00  0.00    +0.144 A 
ATOM      5  N   LIG    1       -0.981  -0.297  -1.075  0.00  0.00    -0.198 NA
ATOM      6  C   LIG    1       -0.236  -0.620  -2.144  0.00  0.00    +0.221 A 
ATOM      7  N   LIG    1       -0.753  -1.155  -3.255  0.00  0.00    -0.221 NA
ATOM      8  C   LIG    1       -2.086  -1.336  -3.272  0.00  0.00    +0.136 A 
BRANCH   4   9
ATOM      9  N   LIG    1       -3.015  -0.145   0.059  0.00  0.00    -0.314 N 
ATOM     10  C   LIG    1       -2.273   0.503   1.145  0.00  0.00    +0.106 C 
ATOM     11  C   LIG    1       -3.276   0.526   2.291  0.00  0.00    +0.020 C 
ATOM     12  C   LIG    1       -3.973  -0.813   2.128  0.00  0.00    +0.020 C 
ATOM     13  C   LIG    1       -4.100  -0.966   0.611  0.00  0.00    +0.106 C 
ENDBRANCH   4   9
BRANCH   3  15
ATOM     14  N   LIG    1       -5.457  -1.411  -2.545  0.00  0.00    -0.191 NA
ATOM     15  C   LIG    1       -4.323  -1.221  -2.384  0.00  0.00    +0.104 C 
ENDBRANCH   3  15
ENDBRANCH   1   6
BRANCH   1  16
ATOM     16  C   LIG    1        2.062   0.172  -1.311  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        3.432   0.065  -1.611  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        4.407   0.624  -0.779  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1        4.016   1.290   0.381  0.00  0.00    +0.105 A 
ATOM     20  C   LIG    1        2.665   1.415   0.702  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1        1.701   0.849  -0.140  0.00  0.00    +0.025 A 
BRANCH  19  22
ATOM     22  S   LIG    1        5.248   2.000   1.437  0.00  0.00    +0.056 S 
ATOM     23  O   LIG    1        6.398   2.341   0.634  0.00  0.00    -0.153 OA
ATOM     24  O   LIG    1        4.608   2.945   2.323  0.00  0.00    -0.153 OA
BRANCH  22  25
ATOM     25  N   LIG    1        5.660   0.682   2.403  0.00  0.00    -0.204 NA
ATOM     26  H   LIG    1        5.400   0.890   3.369  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1        5.255  -0.195   2.080  0.00  0.00    +0.144 HD
ENDBRANCH  22  25
ENDBRANCH  19  22
ENDBRANCH   1  16
TORSDOF 6